American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba3V4(PO4)6
 
Drob T, Glaum R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=58
Acta Crystallographica E60 (2004) i58-i60
The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
_database_code_amcsd 0010428
9.8825 9.8825 9.8825 90 90 90 P2_13
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .06743 .06743 .06743 .772 .0182  .0182  .0182  .0182 .00074 .00074 .00074
Ba2  .29438 .29438 .29438 .728 .0282  .0282  .0282  .0282  .0107  .0107  .0107
V1   .58620 .58620 .58620      .0073  .0073  .0073  .0073 -.0006 -.0006 -.0006
V2   .85303 .85303 .85303      .0086  .0086  .0086  .0086  .0010  .0010  .0010
P    .62570 .46081 .27168      .0067  .0068  .0065  .0068  .0016  .0005  .0002
O1    .6530  .5015  .4170      .0216  .0250  .0280  .0118  .0032 -.0028 -.0119
O2    .7572  .4841  .1930      .0279  .0211   .032   .031  .0097  .0193  .0087
O3    .5776  .3136  .2618      .0218  .0254  .0099  .0300 -.0046 -.0131  .0040
O4    .5218  .5517  .2037      .0238  .0232  .0212  .0270  .0125 -.0084  .0011
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